SCHEMBL4162200

SCHEMBL4162200

Nc1cc(CCC2CC2)sc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.37
ITGA2B P08514 5/20 0.37
LNPEP Q9UIQ6 1/20 0.36
TBK1 Q9UHD2 5/20 0.35
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
DAO P14920 1/20 0.31
PIM1 P11309 2/20 0.30
PIM2 Q9P1W9 2/20 0.30
IKBKB O14920 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
BTK Q06187 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4180494 0.82 KDM4E (0.43) ITGB3ITGA2BLNPEPKDM4EMEN1
SCHEMBL7811990 0.73 GPR35 (0.43) ALDH1A1
SCHEMBL19850437 0.72 KDM4E (0.34) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL5493304 0.66 IKBKB (0.40) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL3229132 0.64 GPR35 (0.45) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL19172463 0.64 CNR1 (0.39) LNPEPTBK1KDM4EMEN1ALDH1A1
SCHEMBL9836065 0.63 PKM (0.48) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL614111 0.63 GSK3B (0.42) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL28226525 0.63 DAO (0.47) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL2063091 0.62 RXFP1 (0.41) KDM4EMAPTKMT2AIKBKBCYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987042-B1 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI SA (FR) 2015-01-21 EP disclosed
US-8853208-B2 Amino alcohol-substituted arylthienopyrimidinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-10-07 US disclosed
US-20090076002-A1 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-03-19 US disclosed
CN-101384605-A Novel aminoalcohol-substituted arylthienopyrimidinones, process for their preparation and their use as medicaments SANOFI AVENTIS (FR) 2009-03-11 CN disclosed
EP-1987042-A2 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS sanofi-aventis (FR) 2008-11-05 EP disclosed
WO-2007093365-A2 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090076002-A1 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS AADAT, PNMT, MCHR1 ITGB3 2155/4885ITGA2B 2715/4885LNPEP 804/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.